%chk=000257289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257289

0 1
O 2.281119 -0.706146 2.294127
O 0.978869 -0.477154 -2.353956
O 2.411983 3.273476 -0.061803
O -2.892844 0.971438 -0.451243
N 2.288186 1.271624 1.101156
N 1.608576 1.392656 -1.156174
N -2.684733 -1.265061 0.138217
N -5.544440 1.154872 0.627724
C 1.210796 -0.756091 0.080421
C -0.294199 -0.749756 0.578285
C 1.723744 -2.209853 -0.136128
C 1.986077 -0.095922 1.236518
C 1.269656 0.029220 -1.241201
C -1.316967 -1.382198 -0.399514
C 3.215452 -2.300220 -0.519993
C 2.115174 2.073683 -0.039290
C -3.393490 -0.077868 0.057159
C -4.846543 -0.130458 0.609208
H -0.616454 0.291020 0.769464
H -0.311404 -1.294242 1.541143
H 1.115988 -2.669738 -0.934542
H 1.545811 -2.765457 0.802529
H -1.281987 -0.866012 -1.373083
H -1.100346 -2.450282 -0.570311
H 3.422563 -1.772787 -1.468965
H 3.863926 -1.881515 0.270416
H 3.507173 -3.356066 -0.660916
H 2.713873 1.738067 1.909254
H 1.527824 1.946968 -2.015395
H -3.115928 -2.078721 0.580176
H -4.828472 -0.548164 1.635186
H -5.424029 -0.847049 -0.008264
H -5.596001 1.582750 -0.304048
H -5.130549 1.821484 1.289243


%chk=000257289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257289

0 1
O 2.301467 -0.695226 2.290748
O 0.903279 -0.472014 -2.335618
O 2.372262 3.306867 -0.070888
O -2.859870 0.881874 -0.591208
N 2.283735 1.281007 1.092870
N 1.548092 1.401616 -1.149428
N -2.688880 -1.298768 0.190779
N -5.434476 1.220078 0.667004
C 1.197162 -0.753728 0.092920
C -0.298033 -0.769305 0.618411
C 1.727355 -2.199100 -0.139656
C 1.987155 -0.086660 1.235486
C 1.216954 0.035762 -1.227914
C -1.314503 -1.477457 -0.312907
C 3.213552 -2.264358 -0.548881
C 2.079021 2.087092 -0.043564
C -3.383859 -0.118362 -0.010315
C -4.856413 -0.113121 0.482422
H -0.647170 0.270246 0.762438
H -0.283708 -1.265777 1.606963
H 1.113492 -2.662261 -0.931466
H 1.572410 -2.763329 0.797954
H -1.257765 -1.052349 -1.328943
H -1.108514 -2.559236 -0.380379
H 3.394780 -1.731728 -1.500281
H 3.868825 -1.835806 0.230613
H 3.520599 -3.314904 -0.696666
H 2.724832 1.748297 1.891981
H 1.438131 1.955922 -2.005221
H -3.131979 -2.060200 0.707403
H -4.941796 -0.683245 1.428040
H -5.459156 -0.661801 -0.268582
H -5.366011 1.787529 -0.186208
H -5.022566 1.728944 1.457494


